N-[3-[(8Z)-8-[azanyl(oxidanyl)methylidene]-10-(dimethylamino)-4,5,6a-tris(oxidanyl)-6,7,9-tris(oxidanylidene)-10a,11,11a,12-tetrahydro-10H-tetracen-1-yl]prop-2-ynyl]methanesulfonamide

Systemtic Name: N-[3-[(8Z)-8-[azanyl(oxidanyl)methylidene]-10-(dimethylamino)-4,5,6a-tris(oxidanyl)-6,7,9-tris(oxidanylidene)-10a,11,11a,12-tetrahydro-10H-tetracen-1-yl]prop-2-ynyl]methanesulfonamide Openeye Name: N-[3-[(8Z)-8-[amino(hydroxy)methylene]-10-(dimethylamino)-4,5,6a-trihydroxy-6,7,9-trioxo-10a,11,11a,12-tetrahydro-10H-tetracen-1-yl]prop-2-ynyl]methanesulfonamide CAS Name: N-[3-[(8Z)-8-[amino(hydroxy)methylidene]-10-(dimethylamino)-4,5,6a-trihydroxy-6,7,9-trioxo-10a,11,11a,12-tetrahydro-10H-tetracen-1-yl]prop-2-ynyl]methanesulfonamide IUPAC Name: N-[3-[(8Z)-8-[amino(hydroxy)methylidene]-10-(dimethylamino)-4,5,6a-trihydroxy-6,7,9-trioxo-10a,11,11a,12-tetrahydro-10H-tetracen-1-yl]prop-2-ynyl]methanesulfonamide Traditional Name: N-[3-[(8Z)-8-[amino(hydroxy)methylene]-10-(dimethylamino)-4,5,6a-trihydroxy-6,7,9-triketo-10a,11,11a,12-tetrahydro-10H-tetracen-1-yl]prop-2-ynyl]methanesulfonamide Formula: C25H27N3O9S MolecularWeight: 545.56158

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1C2CC3CC4=C(C=CC(=C4C(=C3C(=O)C2(C(=O)C(=C(N)O)C1=O)O)O)O)C#CCNS(=O)(=O)C

Isomeric SMILES

CN(C)C1C2CC3CC4=C(C=CC(=C4C(=C3C(=O)C2(C(=O)/C(=C(/N)\O)/C1=O)O)O)O)C#CCNS(=O)(=O)C

InChI

InChI=1S/C25H27N3O9S/c1-28(2)19-14-10-12-9-13-11(5-4-8-27-38(3,36)37)6-7-15(29)17(13)20(30)16(12)22(32)25(14,35)23(33)18(21(19)31)24(26)34/h6-7,12,14,19,27,29-30,34-35H,8-10,26H2,1-3H3/b24-18-